2-[4-(4-oxidanylidene-6-pyridin-4-yl-1H-pyrimidin-2-yl)piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-(4-oxidanylidene-6-pyridin-4-yl-1H-pyrimidin-2-yl)piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[4-oxo-6-(4-pyridyl)-1H-pyrimidin-2-yl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-(4-oxo-6-pyridin-4-yl-1H-pyrimidin-2-yl)-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(4-oxo-6-pyridin-4-yl-1H-pyrimidin-2-yl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[4-keto-6-(4-pyridyl)-1H-pyrimidin-2-yl]piperazino]isonicotinonitrile Formula: C19H17N7O MolecularWeight: 359.38458

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC(=C2)C#N)C3=NC(=O)C=C(N3)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC(=C2)C#N)C3=NC(=O)C=C(N3)C4=CC=NC=C4

InChI

InChI=1S/C19H17N7O/c20-13-14-1-6-22-17(11-14)25-7-9-26(10-8-25)19-23-16(12-18(27)24-19)15-2-4-21-5-3-15/h1-6,11-12H,7-10H2,(H,23,24,27)